8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate
TL;DR: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate (CAS 637751-81-6) is a chemical compound with molecular formula C24H25NO5 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate
Also Known As: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate, 8-(1-azepanylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4H-chromen-4-one, 8-(azepanium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromen-7-olate
| Molecular Formula | C24H25NO5 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 2.2637 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.17328 |
| Heavy Atoms | 30 |
| Complexity | 1128.3799 |
Chemical Identifiers
| CAS Number | 637751-81-6 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-] |
Product Overview
8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate (CAS 637751-81-6), with molecular formula C24H25NO5 and molecular weight 407.17 g/mol. IUPAC: 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate.
Chemical Property Profile of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate
Property Insights of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate
The XLogP value of 2.2637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate. Following Lipinski's Rule of Five, 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate?
The CAS number of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate is 637751-81-6.
What is the molecular formula of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate?
The molecular formula of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate is C24H25NO5.
What is the molecular weight of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate?
The molecular weight of 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate is 407.17 g/mol.
Where can I buy 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate?
You can request a quote for 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-ium-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.